(2R)-3-(cyclopropylamino)-2-fluoropropane-1-sulfonic acid

C6H12FNO3S — CID 58691896

IUPAC(2R)-3-(cyclopropylamino)-2-fluoropropane-1-sulfonic acid
SMILESO=S(=O)(O)C[C@H](F)CNC1CC1
InChIInChI=1S/C6H12FNO3S/c7-5(4-12(9,10)11)3-8-6-1-2-6/h5-6,8H,1-4H2,(H,9,10,11)/t5-/m1/s1
InChIKeyFEXSKPCNKZKVQV-RXMQYKEDSA-N
MW197.23 g/mol
LogP-0.04
Rot. Bonds5

About (2R)-3-(cyclopropylamino)-2-fluoropropane-1-sulfonic acid

(2R)-3-(cyclopropylamino)-2-fluoropropane-1-sulfonic acid (PubChem CID 58691896) has the molecular formula C6H12FNO3S and a molecular weight of 197.23 g/mol. Its IUPAC name is (2R)-3-(cyclopropylamino)-2-fluoropropane-1-sulfonic acid.

Molecular Properties

Compound Name(2R)-3-(cyclopropylamino)-2-fluoropropane-1-sulfonic acid
PubChem CID58691896
Molecular FormulaC6H12FNO3S
Molecular Weight197.23 g/mol
Exact Mass197.05
IUPAC Name(2R)-3-(cyclopropylamino)-2-fluoropropane-1-sulfonic acid
SMILESO=S(=O)(O)C[C@H](F)CNC1CC1
InChIInChI=1S/C6H12FNO3S/c7-5(4-12(9,10)11)3-8-6-1-2-6/h5-6,8H,1-4H2,(H,9,10,11)/t5-/m1/s1
InChIKeyFEXSKPCNKZKVQV-RXMQYKEDSA-N
XLogP-0.04
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

Agn-PC-0nhgeb
CID 11194685
Isopropyltaurine
CID 12260055
3-(Cyclopropylmethylamino)-2,2-difluoropropane-1-sulfonic acid
CID 11673062
3-[(2,2,2-Trifluoroethyl)amino]-1-propanesulfonic acid
CID 11708359
(2S)-3-(cyclopropylamino)-2-fluoropropane-1-sulfonic acid
CID 58691865
3-(Cyclopropylmethylamino)-2-fluoropropane-1-sulfinic acid
CID 58691872
(2R)-3-(cyclopropylmethylamino)-2-fluoropropane-1-sulfonic acid
CID 58691880
3-(Cyclopropylamino)-2-fluoropropane-1-sulfonic acid
CID 58691912
(2S)-3-(cyclopropylmethylamino)-2-fluoropropane-1-sulfonic acid
CID 58691948
3-(Cyclopropylamino)-2-fluoropropane-1-sulfinic acid
CID 58691983
3-(Cyclopropylamino)-2,2-difluoropropane-1-sulfonic acid
CID 58691990
3-(Cyclopropylmethylamino)-2-fluoropropane-1-sulfonic acid
CID 58691995

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(cyclopropylamino)-2-fluoropropane-1-sulfonic acid?
The IUPAC name of (2R)-3-(cyclopropylamino)-2-fluoropropane-1-sulfonic acid (CID 58691896) is (2R)-3-(cyclopropylamino)-2-fluoropropane-1-sulfonic acid.
What is the SMILES notation for (2R)-3-(cyclopropylamino)-2-fluoropropane-1-sulfonic acid?
The canonical SMILES for (2R)-3-(cyclopropylamino)-2-fluoropropane-1-sulfonic acid is O=S(=O)(O)C[C@H](F)CNC1CC1.
What is the InChIKey of (2R)-3-(cyclopropylamino)-2-fluoropropane-1-sulfonic acid?
The InChIKey is FEXSKPCNKZKVQV-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H12FNO3S/c7-5(4-12(9,10)11)3-8-6-1-2-6/h5-6,8H,1-4H2,(H,9,10,11)/t5-/m1/s1.
What are the key properties of (2R)-3-(cyclopropylamino)-2-fluoropropane-1-sulfonic acid?
(2R)-3-(cyclopropylamino)-2-fluoropropane-1-sulfonic acid has a molecular weight of 197.23 g/mol, XLogP of -0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(cyclopropylamino)-2-fluoropropane-1-sulfonic acid is sourced from PubChem (CID 58691896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).